N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide

Systemtic Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide Openeye Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide CAS Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide IUPAC Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide Traditional Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]methanesulfonamide Formula: C29H37N5O2S2 MolecularWeight: 551.76638

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NS(=O)(=O)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NS(=O)(=O)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C29H37N5O2S2/c1-8-34(9-2)25-18-19-26-27(20-25)30-28(31-38(7,35)36)37-29(26,21-10-14-23(15-11-21)32(3)4)22-12-16-24(17-13-22)33(5)6/h10-20H,8-9H2,1-7H3,(H,30,31)