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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-4-chloro-benzamide Formula: C30H33ClN2O4S MolecularWeight: 553.11202

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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)N4CCCCCC4

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)N4CCCCCC4

InChI

InChI=1S/C30H33ClN2O4S/c1-30(2,3)24-14-11-21(12-15-24)28(34)22-9-8-10-25(19-22)32-29(35)23-13-16-26(31)27(20-23)38(36,37)33-17-6-4-5-7-18-33/h8-16,19-20H,4-7,17-18H2,1-3H3,(H,32,35)