2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide CAS Name: 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]-N-phenethylacetamide IUPAC Name: 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]-N-phenethylacetamide Traditional Name: 2-[[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide Formula: C33H32N4O5S MolecularWeight: 596.69598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)C4CCN(C4=O)CC5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)[C@H]4CCN(C4=O)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C33H32N4O5S/c1-42-29-12-10-27-11-13-30(20-28(27)19-29)43(40,41)37(23-32(38)35-16-14-24-6-3-2-4-7-24)31-15-17-36(33(31)39)22-26-9-5-8-25(18-26)21-34/h2-13,18-20,31H,14-17,22-23H2,1H3,(H,35,38)/t31-/m0/s1