N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-4-chloro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-piperidinosulfonyl-benzamide Formula: C29H31ClN2O4S MolecularWeight: 539.08544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C29H31ClN2O4S/c1-29(2,3)23-13-10-20(11-14-23)27(33)21-8-7-9-24(18-21)31-28(34)22-12-15-25(30)26(19-22)37(35,36)32-16-5-4-6-17-32/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,31,34)