2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazino)-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide Formula: C18H22BrN5O3S MolecularWeight: 468.36798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1/C=N/NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN5O3S/c1-22-8-2-3-16(22)13-20-21-18(25)14-23-9-11-24(12-10-23)28(26,27)17-6-4-15(19)5-7-17/h2-8,13H,9-12,14H2,1H3,(H,21,25)/b20-13+