N-(2-tert-butylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-tert-butylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-tert-butylphenyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-tert-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-tert-butylphenyl)-4-pyrrolidinosulfonyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)18-8-4-5-9-19(18)22-20(24)16-10-12-17(13-11-16)27(25,26)23-14-6-7-15-23/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,22,24)