azepan-1-yl-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone

Systemtic Name: azepan-1-yl-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[4-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-[4-(3-chlorophenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C24H33ClN4O3S MolecularWeight: 493.06182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H33ClN4O3S/c1-18-22(24(30)28-11-6-4-5-7-12-28)23(19(2)26(18)3)33(31,32)29-15-13-27(14-16-29)21-10-8-9-20(25)17-21/h8-10,17H,4-7,11-16H2,1-3H3