(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)acrylamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5S/c25-22(12-6-17-5-11-20-21(15-17)29-16-28-20)23-18-7-9-19(10-8-18)30(26,27)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14,16H2,(H,23,25)/b12-6+