N-(2-methyl-6-propan-2-yl-phenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-20(2)25-14-7-9-21(3)26(25)28-27(31)22-10-8-13-24(19-22)34(32,33)30-17-15-29(16-18-30)23-11-5-4-6-12-23/h4-14,19-20H,15-18H2,1-3H3,(H,28,31)