3-butyl-3-ethyl-5-(4-phenylmethoxyphenyl)-2H-1$l^{6},2-benzothiazepine 1,1-dioxide

Systemtic Name: 3-butyl-3-ethyl-5-(4-phenylmethoxyphenyl)-2H-1$l^{6},2-benzothiazepine 1,1-dioxide Openeye Name: 5-(4-benzyloxyphenyl)-3-butyl-3-ethyl-2H-1$l^{6},2-benzothiazepine 1,1-dioxide CAS Name: 3-butyl-3-ethyl-5-(4-phenylmethoxyphenyl)-2H-1$l^{6},2-benzothiazepine 1,1-dioxide IUPAC Name: 3-butyl-3-ethyl-5-(4-phenylmethoxyphenyl)-2H-1$l^{6},2-benzothiazepine 1,1-dioxide Traditional Name: 5-(4-benzoxyphenyl)-3-butyl-3-ethyl-2H-1$l^{6},2-benzothiazepine 1,1-dioxide Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C2=CC=CC=C2S(=O)(=O)N1)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC

Isomeric SMILES

CCCCC1(C=C(C2=CC=CC=C2S(=O)(=O)N1)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC

InChI

InChI=1S/C28H31NO3S/c1-3-5-19-28(4-2)20-26(25-13-9-10-14-27(25)33(30,31)29-28)23-15-17-24(18-16-23)32-21-22-11-7-6-8-12-22/h6-18,20,29H,3-5,19,21H2,1-2H3