N-[3-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[2-[N-(benzenesulfonyl)-3-bromo-anilino]acetyl]amino]phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[2-[N-(benzenesulfonyl)-3-bromoanilino]-1-oxoethyl]amino]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]phenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[2-(N-besyl-3-bromo-anilino)acetyl]amino]phenyl]-4-tert-butyl-benzamide Formula: C31H30BrN3O4S MolecularWeight: 620.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H30BrN3O4S/c1-31(2,3)23-17-15-22(16-18-23)30(37)34-26-11-8-10-25(20-26)33-29(36)21-35(27-12-7-9-24(32)19-27)40(38,39)28-13-5-4-6-14-28/h4-20H,21H2,1-3H3,(H,33,36)(H,34,37)