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

Systemtic Name: 1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-4-methyl-2-[(4-methylpiperazin-1-yl)amino]pentan-1-one Openeye Name: 1-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-4-methyl-2-[(4-methylpiperazin-1-yl)amino]pentan-1-one CAS Name: 1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-methyl-2-[(4-methyl-1-piperazinyl)amino]-1-pentanone IUPAC Name: 1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-methyl-2-[(4-methylpiperazin-1-yl)amino]pentan-1-one Traditional Name: 1-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-4-methyl-2-[(4-methylpiperazino)amino]pentan-1-one Formula: C29H45N5O3S MolecularWeight: 543.7643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(C)C)NN4CCN(CC4)C

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(C)C)NN4CCN(CC4)C

InChI

InChI=1S/C29H45N5O3S/c1-5-6-11-26-22-32(29(35)28(20-23(2)3)30-33-17-14-31(4)15-18-33)16-19-34(26)38(36,37)27-13-12-24-9-7-8-10-25(24)21-27/h7-10,12-13,21,23,26,28,30H,5-6,11,14-20,22H2,1-4H3