3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide; ethanedioic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide; ethanedioic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide; oxalic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide; oxalic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide; oxalic acid Traditional Name: 3-(brosylamino)-N-[3-(dimethylamino)propyl]propionamide; oxalic acid Formula: C16H24BrN3O7S MolecularWeight: 482.34666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22BrN3O3S.C2H2O4/c1-18(2)11-3-9-16-14(19)8-10-17-22(20,21)13-6-4-12(15)5-7-13;3-1(4)2(5)6/h4-7,17H,3,8-11H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)