4-[4-(4-aminophenyl)piperidin-1-yl]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-methylsulfonyl-benzamide

Systemtic Name: 4-[4-(4-aminophenyl)piperidin-1-yl]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-methylsulfonyl-benzamide Openeye Name: 4-[4-(4-aminophenyl)-1-piperidyl]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-methylsulfonyl-benzamide CAS Name: 4-[4-(4-aminophenyl)-1-piperidinyl]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-methylsulfonylbenzamide IUPAC Name: 4-[4-(4-aminophenyl)piperidin-1-yl]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-methylsulfonylbenzamide Traditional Name: 4-[4-(4-aminophenyl)piperidino]-N-butyl-2-[2-dimethylaminoethyl(ethyl)amino]-5-mesyl-benzamide Formula: C29H45N5O3S MolecularWeight: 543.7643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1N(CC)CCN(C)C)N2CCC(CC2)C3=CC=C(C=C3)N)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1N(CC)CCN(C)C)N2CCC(CC2)C3=CC=C(C=C3)N)S(=O)(=O)C

InChI

InChI=1S/C29H45N5O3S/c1-6-8-15-31-29(35)25-20-28(38(5,36)37)27(21-26(25)33(7-2)19-18-32(3)4)34-16-13-23(14-17-34)22-9-11-24(30)12-10-22/h9-12,20-21,23H,6-8,13-19,30H2,1-5H3,(H,31,35)