N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-N-(phenylmethyl)naphthalene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-N-(phenylmethyl)naphthalene-2-sulfonamide Openeye Name: N-benzyl-N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide CAS Name: N-[(3S)-1-[(2-cyano-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-7-methoxy-N-(phenylmethyl)-2-naphthalenesulfonamide IUPAC Name: N-benzyl-N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide Traditional Name: N-benzyl-N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Formula: C29H26N4O4S MolecularWeight: 526.60614

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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

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

InChI

InChI=1S/C29H26N4O4S/c1-37-26-9-7-23-8-10-27(17-24(23)16-26)38(35,36)33(20-21-5-3-2-4-6-21)28-12-14-32(29(28)34)19-22-11-13-31-25(15-22)18-30/h2-11,13,15-17,28H,12,14,19-20H2,1H3/t28-/m0/s1