N-[(3S)-1-[(6-azanyl-1-chloranyl-isoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(6-azanyl-1-chloranyl-isoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Openeye Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide CAS Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-7-methoxy-2-naphthalenesulfonamide IUPAC Name: N-[(3S)-1-[(6-amino-1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide Traditional Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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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=C(C=C5C=CN=C(C5=C4)Cl)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=C(C=C5C=CN=C(C5=C4)Cl)N

InChI

InChI=1S/C25H23ClN4O4S/c1-34-19-4-2-15-3-5-20(11-17(15)10-19)35(32,33)29-23-7-9-30(25(23)31)14-18-12-21-16(13-22(18)27)6-8-28-24(21)26/h2-6,8,10-13,23,29H,7,9,14,27H2,1H3/t23-/m0/s1