N-(3-bromophenyl)-1-(4-ethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(4-ethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-bromophenyl)-1-(4-ethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(3-bromophenyl)-1-(4-ethoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-bromophenyl)-1-p-phenetylsulfonyl-pyrrolidine-2-carboxamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-2-26-16-8-10-17(11-9-16)27(24,25)22-12-4-7-18(22)19(23)21-15-6-3-5-14(20)13-15/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,21,23)