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

Systemtic Name: azepan-1-yl-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C26H38N4O3S MolecularWeight: 486.66992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCCCCC4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCCCCC4)C)C)C

InChI

InChI=1S/C26H38N4O3S/c1-19-10-11-20(2)23(18-19)28-14-16-30(17-15-28)34(32,33)25-22(4)27(5)21(3)24(25)26(31)29-12-8-6-7-9-13-29/h10-11,18H,6-9,12-17H2,1-5H3