[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]-(4-pyrrol-1-ylphenyl)methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-3-20(2)21-8-12-24(13-9-21)32(30,31)28-18-16-27(17-19-28)25(29)22-6-10-23(11-7-22)26-14-4-5-15-26/h4-15,20H,3,16-19H2,1-2H3/t20-/m0/s1