4-(1,3-benzothiazol-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-naphthylsulfonyl)piperazino]butan-1-one Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N3O3S2/c29-25(11-5-10-24-26-22-8-3-4-9-23(22)32-24)27-14-16-28(17-15-27)33(30,31)21-13-12-19-6-1-2-7-20(19)18-21/h1-4,6-9,12-13,18H,5,10-11,14-17H2