ethyl 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]propanoate

Systemtic Name: ethyl 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]propanoate Openeye Name: ethyl 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthylsulfonylamino)-2-oxo-1-piperidyl]propanoate CAS Name: 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxopiperidin-1-yl]propanoate Traditional Name: 3-(4-amidinophenyl)-2-[2-keto-3-(2-naphthylsulfonylamino)piperidino]propionic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)N2CCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)N2CCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H30N4O5S/c1-2-36-27(33)24(16-18-9-11-20(12-10-18)25(28)29)31-15-5-8-23(26(31)32)30-37(34,35)22-14-13-19-6-3-4-7-21(19)17-22/h3-4,6-7,9-14,17,23-24,30H,2,5,8,15-16H2,1H3,(H3,28,29)