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

Systemtic Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(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=CC(=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c23-22(27)18-6-5-7-19(16-18)24-21(26)13-10-17-8-11-20(12-9-17)30(28,29)25-14-3-1-2-4-15-25/h5-13,16H,1-4,14-15H2,(H2,23,27)(H,24,26)/b13-10+