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

Systemtic Name: N-[(3S)-1-[(1-chloranylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Openeye Name: N-[(3S)-1-[(1-chloro-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide CAS Name: N-[(3S)-1-[(1-chloro-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-7-methoxy-2-naphthalenesulfonamide IUPAC Name: N-[(3S)-1-[(1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide Traditional Name: N-[(3S)-1-[(1-chloro-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC5=C(C=C4)C=CN=C5Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC5=C(C=C4)C=CN=C5Cl

InChI

InChI=1S/C25H22ClN3O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3/t23-/m0/s1