N-[(E)-[4-[(4-bromophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-[4-[(4-bromophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-[3-(4-bromoanilino)-1-methyl-3-oxo-propylidene]amino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(E)-[3-(4-bromoanilino)-3-keto-1-methyl-propylidene]amino]-1-tosyl-isonipecotamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=C(C)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N/N=C(\C)/CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H27BrN4O4S/c1-16-3-9-21(10-4-16)33(31,32)28-13-11-18(12-14-28)23(30)27-26-17(2)15-22(29)25-20-7-5-19(24)6-8-20/h3-10,18H,11-15H2,1-2H3,(H,25,29)(H,27,30)/b26-17+