[(3S)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-2-(4-methoxy-2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-2-(4-methoxy-2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-30-17-8-9-20(18(13-17)24(26)27)31(28,29)23-14-16-7-3-2-6-15(16)12-19(23)21(25)22-10-4-5-11-22/h2-3,6-9,13,19H,4-5,10-12,14H2,1H3/t19-/m0/s1