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

Systemtic Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(phenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-3-[benzyl-[(7-methoxy-2-naphthyl)sulfonyl]amino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C30H30N4O4S MolecularWeight: 542.6486

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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=CC(=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=CC(=C5)C(=N)N

InChI

InChI=1S/C30H30N4O4S/c1-38-26-12-10-23-11-13-27(18-25(23)17-26)39(36,37)34(20-21-6-3-2-4-7-21)28-14-15-33(30(28)35)19-22-8-5-9-24(16-22)29(31)32/h2-13,16-18,28H,14-15,19-20H2,1H3,(H3,31,32)/t28-/m0/s1