3-butyl-3-ethyl-5-pyridin-3-yl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 3-butyl-3-ethyl-5-pyridin-3-yl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3-butyl-3-ethyl-5-(3-pyridyl)-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3-butyl-3-ethyl-5-(3-pyridinyl)-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3-butyl-3-ethyl-5-pyridin-3-yl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3-butyl-3-ethyl-5-(3-pyridyl)-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=CN=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=CN=CC=C3)CC

InChI

InChI=1S/C20H26N2O2S/c1-3-5-12-20(4-2)15-25(23,24)18-11-7-6-10-17(18)19(22-20)16-9-8-13-21-14-16/h6-11,13-14,19,22H,3-5,12,15H2,1-2H3