N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-4-(3,4-dichlorophenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-4-(3,4-dichlorophenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(3,4-dichlorophenyl)sulfonyl-piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-4-(3,4-dichlorophenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-4-(3,4-dichlorophenyl)sulfonyl-piperazine-2-carboxamide Formula: C20H21BrCl2N4O4S MolecularWeight: 564.28014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrCl2N4O4S/c21-14-3-1-2-13(10-14)20(29)27-9-8-26(12-18(27)19(28)25-7-6-24)32(30,31)15-4-5-16(22)17(23)11-15/h1-5,10-11,18H,6-9,12,24H2,(H,25,28)