[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidinosulfonylphenyl)methanone Formula: C30H33N3O8S MolecularWeight: 595.66332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C30H33N3O8S/c1-39-28-18-22-14-17-32(30(34)21-6-12-25(13-7-21)42(37,38)31-15-4-3-5-16-31)27(26(22)19-29(28)40-2)20-41-24-10-8-23(9-11-24)33(35)36/h6-13,18-19,27H,3-5,14-17,20H2,1-2H3