N-[4-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-piperazin-1-ylethyl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-piperazin-1-ylethyl)phenyl]methanesulfonamide Openeye Name: N-[2-(1-piperazin-1-ylethyl)-4-thiochroman-4-yl-phenyl]methanesulfonamide CAS Name: N-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[1-(1-piperazinyl)ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-piperazin-1-ylethyl)phenyl]methanesulfonamide Traditional Name: N-[2-(1-piperazinoethyl)-4-thiochroman-4-yl-phenyl]methanesulfonamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C2CCSC3=CC=CC=C23)NS(=O)(=O)C)N4CCNCC4

Isomeric SMILES

CC(C1=C(C=CC(=C1)C2CCSC3=CC=CC=C23)NS(=O)(=O)C)N4CCNCC4

InChI

InChI=1S/C22H29N3O2S2/c1-16(25-12-10-23-11-13-25)20-15-17(7-8-21(20)24-29(2,26)27)18-9-14-28-22-6-4-3-5-19(18)22/h3-8,15-16,18,23-24H,9-14H2,1-2H3