1-[5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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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(=CN3)C(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-4-15(2)17-5-7-19(8-6-17)29(27,28)24-11-9-23(10-12-24)21(26)20-13-18(14-22-20)16(3)25/h5-8,13-15,22H,4,9-12H2,1-3H3/t15-/m0/s1