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

Systemtic Name: 4-[[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-26-25(30)22-12-7-21(8-13-22)19-27(2)24(29)16-11-20-9-14-23(15-10-20)33(31,32)28-17-5-3-4-6-18-28/h7-16H,3-6,17-19H2,1-2H3,(H,26,30)/b16-11+