[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H34N4O3S/c1-20-18-23(21(2)28(20)19-22-10-6-5-7-11-22)24(29)25-14-16-27(17-15-25)32(30,31)26-12-8-3-4-9-13-26/h5-7,10-11,18H,3-4,8-9,12-17,19H2,1-2H3