[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(azepan-1-ylsulfonyl)piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [1-(azepan-1-ylsulfonyl)-3-piperidyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [1-(1-azepanylsulfonyl)-3-piperidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(azepan-1-ylsulfonyl)piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(azepan-1-ylsulfonyl)-3-piperidyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C24H38N4O3S MolecularWeight: 462.64852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H38N4O3S/c1-20-9-7-11-23(21(20)2)25-15-17-26(18-16-25)24(29)22-10-8-14-28(19-22)32(30,31)27-12-5-3-4-6-13-27/h7,9,11,22H,3-6,8,10,12-19H2,1-2H3