3,3-dimethyl-2-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3,3-dimethyl-2-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide Openeye Name: 3,3-dimethyl-2-[3-[4-(1-naphthyl)piperazin-1-yl]propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide CAS Name: 3,3-dimethyl-2-[3-[4-(1-naphthalenyl)-1-piperazinyl]propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3,3-dimethyl-2-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide Traditional Name: 3,3-dimethyl-2-[3-[4-(1-naphthyl)piperazino]propyl]-6-nitro-1,2-benzothiazole 1,1-dioxide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N1CCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N1CCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C26H30N4O4S/c1-26(2)23-12-11-21(30(31)32)19-25(23)35(33,34)29(26)14-6-13-27-15-17-28(18-16-27)24-10-5-8-20-7-3-4-9-22(20)24/h3-5,7-12,19H,6,13-18H2,1-2H3