(2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-N-cyclopropyl-2-phenyl-acetamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4CC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4CC4)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-16-15-19(9-10-20(16)23)30(28,29)26-13-11-25(12-14-26)21(17-5-3-2-4-6-17)22(27)24-18-7-8-18/h2-6,9-10,15,18,21H,7-8,11-14H2,1H3,(H,24,27)/t21-/m0/s1