2-chloranyl-N-[1-(2,5-dimethylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(2,5-dimethylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-14-6-7-15(2)18(12-14)16(3)23-21(25)19-13-17(8-9-20(19)22)28(26,27)24-10-4-5-11-24/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,23,25)