carbamimidoyl 3-(methylamino)-2-[naphthalen-2-ylsulfonyl(phenethyl)amino]-3-oxidanylidene-2-piperidin-3-yl-propanoate

Systemtic Name: carbamimidoyl 3-(methylamino)-2-[naphthalen-2-ylsulfonyl(phenethyl)amino]-3-oxidanylidene-2-piperidin-3-yl-propanoate Openeye Name: carbamimidoyl 3-(methylamino)-2-[2-naphthylsulfonyl(phenethyl)amino]-3-oxo-2-(3-piperidyl)propanoate CAS Name: 3-(methylamino)-2-[2-naphthalenylsulfonyl(phenethyl)amino]-3-oxo-2-(3-piperidinyl)propanoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 3-(methylamino)-2-[naphthalen-2-ylsulfonyl(phenethyl)amino]-3-oxo-2-piperidin-3-ylpropanoate Traditional Name: 3-keto-3-(methylamino)-2-[2-naphthylsulfonyl(phenethyl)amino]-2-(3-piperidyl)propionic acid amidino ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C1CCCNC1)(C(=O)OC(=N)N)N(CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=O)C(C1CCCNC1)(C(=O)OC(=N)N)N(CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O5S/c1-31-25(34)28(26(35)38-27(29)30,23-12-7-16-32-19-23)33(17-15-20-8-3-2-4-9-20)39(36,37)24-14-13-21-10-5-6-11-22(21)18-24/h2-6,8-11,13-14,18,23,32H,7,12,15-17,19H2,1H3,(H3,29,30)(H,31,34)