[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-[4-(2,5-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-1-methylpyrrol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(2,5-dimethylphenyl)piperazino]methanone Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H34N4O3S/c1-19-8-9-20(2)22(16-19)26-12-14-27(15-13-26)24(29)23-17-21(18-25(23)3)32(30,31)28-10-6-4-5-7-11-28/h8-9,16-18H,4-7,10-15H2,1-3H3