methyl 2-(azepan-1-ylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C19H25N3O4S/c1-26-19(23)14-6-7-17-15(12-14)16-13-22(11-8-18(16)20-17)27(24,25)21-9-4-2-3-5-10-21/h6-7,12,20H,2-5,8-11,13H2,1H3