2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide CAS Name: 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]propanamide IUPAC Name: 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-(5-chloro-N-mesyl-2-methoxy-anilino)-N-[3-(4-methylpiperazino)propyl]propionamide Formula: C19H31ClN4O4S MolecularWeight: 446.99184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCN(CC1)C)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCCN1CCN(CC1)C)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

InChI

InChI=1S/C19H31ClN4O4S/c1-15(19(25)21-8-5-9-23-12-10-22(2)11-13-23)24(29(4,26)27)17-14-16(20)6-7-18(17)28-3/h6-7,14-15H,5,8-13H2,1-4H3,(H,21,25)