N-[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidin-4-yl]carbonylsulfamate

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidin-4-yl]carbonylsulfamate Openeye Name: N-[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate CAS Name: N-[[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-4-piperidinyl]-oxomethyl]sulfamate IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)isonipecotoyl]sulfamate Formula: C20H20N3O5S2- MolecularWeight: 446.5199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NS(=O)(=O)[O-]

InChI

InChI=1S/C20H21N3O5S2/c1-28-15-6-4-5-14(13-15)20(18(24)22-30(25,26)27)9-11-23(12-10-20)19-21-16-7-2-3-8-17(16)29-19/h2-8,13H,9-12H2,1H3,(H,22,24)(H,25,26,27)/p-1