N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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