4-(3-bromophenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]piperazine-1-carboxamide Formula: C17H25BrN4O4S MolecularWeight: 461.3738

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H25BrN4O4S/c1-3-7-19-16(23)13(2)20-17(24)21-8-10-22(11-9-21)27(25,26)15-6-4-5-14(18)12-15/h4-6,12-13H,3,7-11H2,1-2H3,(H,19,23)(H,20,24)/t13-/m0/s1