2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[3-(4-methylpiperazino)propyl]propionamide Formula: C20H34N4O3S MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O3S/c1-16-13-17(2)15-19(14-16)24(28(5,26)27)18(3)20(25)21-7-6-8-23-11-9-22(4)10-12-23/h13-15,18H,6-12H2,1-5H3,(H,21,25)