N-[1-(4-tert-butylphenyl)ethyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O3S/c1-16(17-7-9-18(10-8-17)23(2,3)4)25-22(27)20-15-19(11-12-21(20)24)30(28,29)26-13-5-6-14-26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,27)