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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-26(2)24(29)20-10-12-21(13-11-20)25-23(28)16-9-19-7-14-22(15-8-19)32(30,31)27-17-5-3-4-6-18-27/h7-16H,3-6,17-18H2,1-2H3,(H,25,28)/b16-9+