N-[3-[4-(azepan-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H30N2O4S/c26-30(27,21-11-12-22-23(18-21)29-17-16-28-22)24-13-5-6-19-7-9-20(10-8-19)25-14-3-1-2-4-15-25/h7-12,18,24H,1-6,13-17H2