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

Systemtic Name: N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-N-(thiophen-3-ylmethyl)naphthalene-2-sulfonamide Openeye Name: N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-7-methoxy-N-(3-thienylmethyl)naphthalene-2-sulfonamide CAS Name: N-[(3S)-1-[(2-cyano-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-7-methoxy-N-(3-thiophenylmethyl)-2-naphthalenesulfonamide IUPAC Name: N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxy-N-(thiophen-3-ylmethyl)naphthalene-2-sulfonamide Traditional Name: N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-7-methoxy-N-(3-thenyl)naphthalene-2-sulfonamide Formula: C27H24N4O4S2 MolecularWeight: 532.63386

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N4O4S2/c1-35-24-4-2-21-3-5-25(14-22(21)13-24)37(33,34)31(17-20-8-11-36-18-20)26-7-10-30(27(26)32)16-19-6-9-29-23(12-19)15-28/h2-6,8-9,11-14,18,26H,7,10,16-17H2,1H3/t26-/m0/s1