4-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H25N3O4S/c23-22(27)18-8-10-19(11-9-18)24-21(26)14-7-17-5-12-20(13-6-17)30(28,29)25-15-3-1-2-4-16-25/h5-14H,1-4,15-16H2,(H2,23,27)(H,24,26)/b14-7+