N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-3-phenyl-prop-2-enamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-3-phenyl-prop-2-enamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-3-phenyl-prop-2-enamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-chloro-3-phenyl-2-propenamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-3-phenylprop-2-enamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-3-phenyl-acrylamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/c22-20(16-17-8-4-3-5-9-17)21(25)23-18-10-12-19(13-11-18)28(26,27)24-14-6-1-2-7-15-24/h3-5,8-13,16H,1-2,6-7,14-15H2,(H,23,25)