N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C27H36N4O3S/c1-3-29-16-18-30(19-17-29)25-9-10-26(22(2)21-25)28-27(32)24-11-14-31(15-12-24)35(33,34)20-13-23-7-5-4-6-8-23/h4-10,13,20-21,24H,3,11-12,14-19H2,1-2H3,(H,28,32)/b20-13+