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

Systemtic Name: 3,3-dimethyl-2-[3-(4-naphthalen-1-yl-1,2-diazepan-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3,3-dimethyl-2-[3-[4-(1-naphthyl)diazepan-1-yl]propyl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3,3-dimethyl-2-[3-[4-(1-naphthalenyl)-1-diazepanyl]propyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3,3-dimethyl-2-[3-(4-naphthalen-1-yldiazepan-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3,3-dimethyl-2-[3-[4-(1-naphthyl)diazepan-1-yl]propyl]-1,2-benzothiazole 1,1-dioxide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCCC(CN3)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCCC(CN3)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C27H33N3O2S/c1-27(2)25-15-5-6-16-26(25)33(31,32)30(27)19-9-18-29-17-8-12-22(20-28-29)24-14-7-11-21-10-3-4-13-23(21)24/h3-7,10-11,13-16,22,28H,8-9,12,17-20H2,1-2H3