(1S,6R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-pyrrolidin-1-ylcarbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S,6R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-pyrrolidin-1-ylcarbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide CAS Name: (1S,6R)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-6-[oxo(1-pyrrolidinyl)methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6R)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N3O4S/c1-19-12-13-20(18-23(19)33(31,32)28-16-6-2-3-7-17-28)26-24(29)21-10-4-5-11-22(21)25(30)27-14-8-9-15-27/h4-5,12-13,18,21-22H,2-3,6-11,14-17H2,1H3,(H,26,29)/t21-,22+/m0/s1