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

Systemtic Name: 1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-2-[[1-(phenylsulfonyl)naphthalen-2-yl]amino]propan-1-one Openeye Name: 2-[[1-(benzenesulfonyl)-2-naphthyl]amino]-1-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[[1-(benzenesulfonyl)-2-naphthalenyl]amino]-1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-[[1-(benzenesulfonyl)naphthalen-2-yl]amino]-1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(1-besyl-2-naphthyl)amino]-1-[3-butyl-4-(2-naphthylsulfonyl)piperazino]propan-1-one Formula: C37H39N3O5S2 MolecularWeight: 669.85266

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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)C6=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)C6=CC=CC=C6

InChI

InChI=1S/C37H39N3O5S2/c1-3-4-15-31-26-39(23-24-40(31)47(44,45)33-21-19-28-12-8-9-14-30(28)25-33)37(41)27(2)38-35-22-20-29-13-10-11-18-34(29)36(35)46(42,43)32-16-6-5-7-17-32/h5-14,16-22,25,27,31,38H,3-4,15,23-24,26H2,1-2H3