1-[(E)-2-phenylethenyl]sulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-pyrrolidinoquinoxalin-2-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3S/c32-26(21-12-17-31(18-13-21)35(33,34)19-14-20-8-2-1-3-9-20)29-24-25(30-15-6-7-16-30)28-23-11-5-4-10-22(23)27-24/h1-5,8-11,14,19,21H,6-7,12-13,15-18H2,(H,27,29,32)/b19-14+