N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-chloro-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-piperidinosulfonyl-benzamide Formula: C29H31ClN2O4S MolecularWeight: 539.08544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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