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

Systemtic Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N-ethyl-benzamide Openeye Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N-ethyl-benzamide CAS Name: 3-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N-ethylbenzamide Traditional Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]-N-ethyl-benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O4S/c1-2-25-24(29)20-8-7-9-21(18-20)26-23(28)15-12-19-10-13-22(14-11-19)32(30,31)27-16-5-3-4-6-17-27/h7-15,18H,2-6,16-17H2,1H3,(H,25,29)(H,26,28)/b15-12+