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

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(5-chloro-N-mesyl-2-methyl-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C18H29ClN4O3S MolecularWeight: 416.96586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C

InChI

InChI=1S/C18H29ClN4O3S/c1-15-5-6-16(19)13-17(15)23(27(3,25)26)14-18(24)20-7-4-8-22-11-9-21(2)10-12-22/h5-6,13H,4,7-12,14H2,1-3H3,(H,20,24)