5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; 1-naphthalenesulfonic acid IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Formula: C30H32N2O6S2 MolecularWeight: 580.71488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C20H24N2O3S.C10H8O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h4-11,18-19,23H,12-13H2,1-3H3;1-7H,(H,11,12,13)