4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Openeye Name: 4-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(phenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-pyridinecarboximidamide IUPAC Name: 4-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Traditional Name: 4-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-keto-pyrrolidino]methyl]picolinamidine Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4CCN(C4=O)CC5=CC(=NC=C5)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)[C@H]4CCN(C4=O)CC5=CC(=NC=C5)C(=N)N

InChI

InChI=1S/C29H29N5O4S/c1-38-24-9-7-22-8-10-25(17-23(22)16-24)39(36,37)34(19-20-5-3-2-4-6-20)27-12-14-33(29(27)35)18-21-11-13-32-26(15-21)28(30)31/h2-11,13,15-17,27H,12,14,18-19H2,1H3,(H3,30,31)/t27-/m0/s1