N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-isobutyryl-isonipecotamide Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H35N3O5S/c1-17(2)23(28)25-14-10-18(11-15-25)22(27)24-20-16-19(8-9-21(20)31-3)32(29,30)26-12-6-4-5-7-13-26/h8-9,16-18H,4-7,10-15H2,1-3H3,(H,24,27)