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

Systemtic Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N,N-diethyl-benzamide Openeye Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]-N,N-diethyl-benzamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-3-28(4-2)26(31)22-10-9-11-23(20-22)27-25(30)17-14-21-12-15-24(16-13-21)34(32,33)29-18-7-5-6-8-19-29/h9-17,20H,3-8,18-19H2,1-2H3,(H,27,30)/b17-14+