3-(azepan-1-ylsulfonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-4-methoxy-N-prop-2-enyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-4-methoxy-N-prop-2-enyl-benzamide Openeye Name: N-allyl-3-(azepan-1-ylsulfonyl)-N-[(5-chloro-2-thienyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(5-chloro-2-thiophenyl)methyl]-4-methoxy-N-prop-2-enylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-prop-2-enylbenzamide Traditional Name: N-allyl-3-(azepan-1-ylsulfonyl)-N-[(5-chloro-2-thienyl)methyl]-4-methoxy-benzamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O4S2/c1-3-12-24(16-18-9-11-21(23)30-18)22(26)17-8-10-19(29-2)20(15-17)31(27,28)25-13-6-4-5-7-14-25/h3,8-11,15H,1,4-7,12-14,16H2,2H3