N-(2-tert-butylphenyl)-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-tert-butylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-tert-butylphenyl)-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-tert-butylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-tert-butylphenyl)-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-21(2,3)16-8-4-5-9-18(16)23-20(25)15-10-11-17(22)19(14-15)28(26,27)24-12-6-7-13-24/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,23,25)