N-[(1S)-1-(4-bromophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24BrN3O4S/c1-15(17-3-7-19(22)8-4-17)23-21(27)18-5-9-20(10-6-18)30(28,29)25-13-11-24(12-14-25)16(2)26/h3-10,15H,11-14H2,1-2H3,(H,23,27)/t15-/m0/s1