(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-besylpiperazino)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-en-1-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-17-16-19(18(2)25(17)20-9-10-20)8-11-22(26)23-12-14-24(15-13-23)29(27,28)21-6-4-3-5-7-21/h3-8,11,16,20H,9-10,12-15H2,1-2H3/b11-8+