4-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]piperazino]sulfonylbenzamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H32N4O4S/c27-26(32)22-8-12-24(13-9-22)35(33,34)30-19-17-29(18-20-30)25(31)14-7-21-5-10-23(11-6-21)28-15-3-1-2-4-16-28/h5-14H,1-4,15-20H2,(H2,27,32)/b14-7+