4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[3-(4-methylpiperazino)propyl]butyramide Formula: C20H33ClN4O4S MolecularWeight: 461.01842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H33ClN4O4S/c1-23-12-14-24(15-13-23)10-5-9-22-20(26)6-4-11-25(30(3,27)28)17-7-8-19(29-2)18(21)16-17/h7-8,16H,4-6,9-15H2,1-3H3,(H,22,26)