[2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: (1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C24H30N2O4S/c1-30-21-12-9-18(10-13-21)22-8-4-3-5-15-25(22)24(27)20-11-14-23-19(17-20)7-6-16-26(23)31(2,28)29/h9-14,17,22H,3-8,15-16H2,1-2H3