3,3-dimethyl-1-[2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalen-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalen-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[2-[[1-methyl-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]amino]-1-naphthyl]butan-1-one CAS Name: 3,3-dimethyl-1-[2-[[1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-1-naphthalenyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[2-[[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]amino]naphthalen-1-yl]butan-1-one Traditional Name: 1-[2-[[2-keto-1-methyl-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]amino]-1-naphthyl]-3,3-dimethyl-butan-1-one Formula: C33H37N3O4S MolecularWeight: 571.72958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC4=C(C5=CC=CC=C5C=C4)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC4=C(C5=CC=CC=C5C=C4)C(=O)CC(C)(C)C

InChI

InChI=1S/C33H37N3O4S/c1-23(34-29-16-14-25-10-7-8-12-28(25)31(29)30(37)22-33(2,3)4)32(38)35-17-19-36(20-18-35)41(39,40)27-15-13-24-9-5-6-11-26(24)21-27/h5-16,21,23,34H,17-20,22H2,1-4H3