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

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-[3-(4-methylpiperazino)propyl]butyramide Formula: C20H33ClN4O3S MolecularWeight: 445.01902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN4O3S/c1-17-7-8-18(21)16-19(17)25(29(3,27)28)11-4-6-20(26)22-9-5-10-24-14-12-23(2)13-15-24/h7-8,16H,4-6,9-15H2,1-3H3,(H,22,26)