N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxy-butane-1-sulfonamide

Systemtic Name: N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxy-butane-1-sulfonamide Openeye Name: N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxy-butane-1-sulfonamide CAS Name: N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxy-1-butanesulfonamide IUPAC Name: N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxybutane-1-sulfonamide Traditional Name: N-[7-(dimethylamino)-1-benzothiepin-5-yl]-4-phenoxy-butane-1-sulfonamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)SC=CC=C2NS(=O)(=O)CCCCOC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)SC=CC=C2NS(=O)(=O)CCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S2/c1-24(2)18-12-13-22-20(17-18)21(11-8-15-28-22)23-29(25,26)16-7-6-14-27-19-9-4-3-5-10-19/h3-5,8-13,15,17,23H,6-7,14,16H2,1-2H3