[4-[[bis(2-methylpropyl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[[bis(2-methylpropyl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(diisobutylamino)methyl]phenyl]-[4-(2-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-[[bis(2-methylpropyl)amino]methyl]phenyl]-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [4-[[bis(2-methylpropyl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(diisobutylamino)methyl]phenyl]-[4-(2-naphthylsulfonyl)piperazino]methanone Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC(C)C

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC(C)C

InChI

InChI=1S/C30H39N3O3S/c1-23(2)20-31(21-24(3)4)22-25-9-11-27(12-10-25)30(34)32-15-17-33(18-16-32)37(35,36)29-14-13-26-7-5-6-8-28(26)19-29/h5-14,19,23-24H,15-18,20-22H2,1-4H3