1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-2-[[1-(phenylmethyl)sulfonylnaphthalen-2-yl]amino]propan-1-one

Systemtic Name: 1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-2-[[1-(phenylmethyl)sulfonylnaphthalen-2-yl]amino]propan-1-one Openeye Name: 2-[(1-benzylsulfonyl-2-naphthyl)amino]-1-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[[1-(phenylmethyl)sulfonyl-2-naphthalenyl]amino]-1-propanone IUPAC Name: 2-[(1-benzylsulfonylnaphthalen-2-yl)amino]-1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(1-benzylsulfonyl-2-naphthyl)amino]-1-[3-butyl-4-(2-naphthylsulfonyl)piperazino]propan-1-one Formula: C38H41N3O5S2 MolecularWeight: 683.87924

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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)S(=O)(=O)CC6=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)S(=O)(=O)CC6=CC=CC=C6

InChI

InChI=1S/C38H41N3O5S2/c1-3-4-17-33-26-40(23-24-41(33)48(45,46)34-21-19-30-14-8-9-16-32(30)25-34)38(42)28(2)39-36-22-20-31-15-10-11-18-35(31)37(36)47(43,44)27-29-12-6-5-7-13-29/h5-16,18-22,25,28,33,39H,3-4,17,23-24,26-27H2,1-2H3