1-[6-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

Systemtic Name: 1-[6-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Openeye Name: 1-[6-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone CAS Name: 1-[6-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 1-[6-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Traditional Name: 1-[6-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C22H29N3O3S/c1-17(26)24-14-6-8-18-16-19(11-12-20(18)24)29(27,28)25-15-5-3-4-9-22(25)21-10-7-13-23(21)2/h7,10-13,16,22H,3-6,8-9,14-15H2,1-2H3/t22-/m0/s1