3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-thiochroman-4-yl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-thiochroman-4-yl-benzamide Formula: C22H25ClN2O3S2 MolecularWeight: 465.0285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=CC=CC=C34)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=CC=CC=C34)Cl

InChI

InChI=1S/C22H25ClN2O3S2/c23-18-10-9-16(15-21(18)30(27,28)25-12-5-1-2-6-13-25)22(26)24-19-11-14-29-20-8-4-3-7-17(19)20/h3-4,7-10,15,19H,1-2,5-6,11-14H2,(H,24,26)