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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C28H29ClN2O4S MolecularWeight: 525.05886

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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=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

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)N4CCCC4

InChI

InChI=1S/C28H29ClN2O4S/c1-28(2,3)22-12-9-19(10-13-22)26(32)20-7-6-8-23(17-20)30-27(33)21-11-14-24(29)25(18-21)36(34,35)31-15-4-5-16-31/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,30,33)