N-(2-bromophenyl)-4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carboxamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H26BrN3O3S/c1-3-16(2)17-8-10-18(11-9-17)29(27,28)25-14-12-24(13-15-25)21(26)23-20-7-5-4-6-19(20)22/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/t16-/m0/s1