4-methyl-2-[(4-methylpiperazin-1-yl)amino]-1-(4-naphthalen-2-ylsulfonyl-3-phenethyl-piperazin-1-yl)pentan-1-one

Systemtic Name: 4-methyl-2-[(4-methylpiperazin-1-yl)amino]-1-(4-naphthalen-2-ylsulfonyl-3-phenethyl-piperazin-1-yl)pentan-1-one Openeye Name: 4-methyl-2-[(4-methylpiperazin-1-yl)amino]-1-[4-(2-naphthylsulfonyl)-3-phenethyl-piperazin-1-yl]pentan-1-one CAS Name: 4-methyl-2-[(4-methyl-1-piperazinyl)amino]-1-[4-(2-naphthalenylsulfonyl)-3-phenethyl-1-piperazinyl]-1-pentanone IUPAC Name: 4-methyl-2-[(4-methylpiperazin-1-yl)amino]-1-(4-naphthalen-2-ylsulfonyl-3-phenethylpiperazin-1-yl)pentan-1-one Traditional Name: 4-methyl-2-[(4-methylpiperazino)amino]-1-[4-(2-naphthylsulfonyl)-3-phenethyl-piperazino]pentan-1-one Formula: C33H45N5O3S MolecularWeight: 591.8071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(C(C1)CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)NN5CCN(CC5)C

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(C(C1)CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)NN5CCN(CC5)C

InChI

InChI=1S/C33H45N5O3S/c1-26(2)23-32(34-37-20-17-35(3)18-21-37)33(39)36-19-22-38(30(25-36)15-13-27-9-5-4-6-10-27)42(40,41)31-16-14-28-11-7-8-12-29(28)24-31/h4-12,14,16,24,26,30,32,34H,13,15,17-23,25H2,1-3H3