2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(3-methylpiperidino)ethanone Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-17-8-7-11-23(16-17)21(25)15-22-19-14-18(9-10-20(19)28-2)29(26,27)24-12-5-3-4-6-13-24/h9-10,14,17,22H,3-8,11-13,15-16H2,1-2H3