3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-17-7-5-15(13-20(17)30(26,27)24-9-3-1-2-4-10-24)21(25)23-16-6-8-18-19(14-16)29-12-11-28-18/h5-8,13-14H,1-4,9-12H2,(H,23,25)