2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[(3S)-3-methylpiperidino]ethanone Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-8-7-11-22(16-17)20(24)15-21-18-9-6-10-19(14-18)27(25,26)23-12-4-2-3-5-13-23/h6,9-10,14,17,21H,2-5,7-8,11-13,15-16H2,1H3/t17-/m0/s1