(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-(4-tosylpiperazino)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C21H27N3O3S/c1-15-4-8-19(9-5-15)28(26,27)23-12-10-22(11-13-23)21(25)20-14-16(2)24(17(20)3)18-6-7-18/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3