1-[4-[4-[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[4-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carbonyl]piperazino]phenyl]ethanone Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4S/c1-19(29)20-7-9-21(10-8-20)26-13-15-27(16-14-26)24(30)23-17-22(18-25(23)2)33(31,32)28-11-5-3-4-6-12-28/h7-10,17-18H,3-6,11-16H2,1-2H3