tert-butyl N-[1-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]-N-naphthalen-2-ylsulfonyl-carbamate

Systemtic Name: tert-butyl N-[1-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]-N-naphthalen-2-ylsulfonyl-carbamate Openeye Name: tert-butyl N-[1-[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-oxo-3-pyridyl]-N-(2-naphthylsulfonyl)carbamate CAS Name: N-[1-[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-oxo-3-pyridinyl]-N-(2-naphthalenylsulfonyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-oxopyridin-3-yl]-N-naphthalen-2-ylsulfonylcarbamate Traditional Name: N-[1-[1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-keto-3-pyridyl]-N-(2-naphthylsulfonyl)carbamic acid tert-butyl ester Formula: C35H39N5O6S MolecularWeight: 657.77906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CN(C1=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CN(C1=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C35H39N5O6S/c1-35(2,3)46-34(43)40(47(44,45)28-18-17-25-10-5-6-11-27(25)23-28)29-12-9-21-39(33(29)42)30(32(41)38-19-7-4-8-20-38)22-24-13-15-26(16-14-24)31(36)37/h5-6,9-18,21,23,30H,4,7-8,19-20,22H2,1-3H3,(H3,36,37)