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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H31N3O4S/c1-2-17-26-25(30)22-9-5-6-10-23(22)27-24(29)16-13-20-11-14-21(15-12-20)33(31,32)28-18-7-3-4-8-19-28/h5-6,9-16H,2-4,7-8,17-19H2,1H3,(H,26,30)(H,27,29)/b16-13+