2-(azepan-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(1-azepanyl)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H31N3O3S/c25-21(17-22-11-3-1-2-4-12-22)24-15-7-8-18-16-19(9-10-20(18)24)28(26,27)23-13-5-6-14-23/h9-10,16H,1-8,11-15,17H2