1,3-benzodioxol-5-yl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 1,3-benzodioxol-5-yl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23NO6S/c24-22(29-18-8-11-20-21(15-18)28-16-27-20)12-7-17-5-9-19(10-6-17)30(25,26)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14,16H2