N-[3-(azepan-1-yl)propyl]-4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[1,3-benzodioxol-5-yl(mesyl)amino]butyramide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H33N3O5S/c1-30(26,27)24(18-9-10-19-20(16-18)29-17-28-19)15-6-8-21(25)22-11-7-14-23-12-4-2-3-5-13-23/h9-10,16H,2-8,11-15,17H2,1H3,(H,22,25)