N-[3-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(5-methoxythiochroman-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(5-methoxy-3,4-dihydro-2H-1-benzothiopyran-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[(5-methoxythiochroman-3-yl)-propyl-amino]propyl]-4-methyl-benzenesulfonamide Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCNS(=O)(=O)C1=CC=C(C=C1)C)C2CC3=C(C=CC=C3SC2)OC

Isomeric SMILES

CCCN(CCCNS(=O)(=O)C1=CC=C(C=C1)C)C2CC3=C(C=CC=C3SC2)OC

InChI

InChI=1S/C23H32N2O3S2/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20/h5,7-12,19,24H,4,6,13-17H2,1-3H3