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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-1-yl-prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-piperidyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(1-piperidinyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-1-ylprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidino-acrylamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NN3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NN3CCCCC3

InChI

InChI=1S/C20H29N3O3S/c24-20(21-22-14-4-3-5-15-22)13-10-18-8-11-19(12-9-18)27(25,26)23-16-6-1-2-7-17-23/h8-13H,1-7,14-17H2,(H,21,24)/b13-10+