2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-N-(phenylmethyl)naphthalene-1-carboxamide

Systemtic Name: 2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-N-(phenylmethyl)naphthalene-1-carboxamide Openeye Name: N-benzyl-2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]amino]naphthalene-1-carboxamide CAS Name: 2-[[1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-N-(phenylmethyl)-1-naphthalenecarboxamide IUPAC Name: N-benzyl-2-[[1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]amino]naphthalene-1-carboxamide Traditional Name: N-benzyl-2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]amino]-1-naphthamide Formula: C39H42N4O4S MolecularWeight: 662.84018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)NCC6=CC=CC=C6

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C39H42N4O4S/c1-3-4-17-33-27-42(23-24-43(33)48(46,47)34-21-19-30-14-8-9-16-32(30)25-34)39(45)28(2)41-36-22-20-31-15-10-11-18-35(31)37(36)38(44)40-26-29-12-6-5-7-13-29/h5-16,18-22,25,28,33,41H,3-4,17,23-24,26-27H2,1-2H3,(H,40,44)