2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-1-(3-methylpiperidino)ethanone Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-17-8-7-11-23(16-17)21(25)15-22-19-10-9-18(2)20(14-19)28(26,27)24-12-5-3-4-6-13-24/h9-10,14,17,22H,3-8,11-13,15-16H2,1-2H3