(3S)-N-[(1R)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-tris(fluoranyl)butanamide

Systemtic Name: (3S)-N-[(1R)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-tris(fluoranyl)butanamide Openeye Name: (3S)-N-[(1R)-6-(azepan-1-ylmethyl)tetralin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-trifluoro-butanamide CAS Name: (3S)-N-[(1R)-6-(1-azepanylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-trifluorobutanamide IUPAC Name: (3S)-N-[(1R)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-trifluorobutanamide Traditional Name: (3S)-N-[(1R)-6-(azepan-1-ylmethyl)tetralin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]-4,4,4-trifluoro-butyramide Formula: C29H38F3N3O5S MolecularWeight: 597.68933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)NC2CCCC3=C2C=CC(=C3)CN4CCCCCC4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)N[C@@H]2CCCC3=C2C=CC(=C3)CN4CCCCCC4)C(F)(F)F)OC

InChI

InChI=1S/C29H38F3N3O5S/c1-39-25-13-11-22(17-26(25)40-2)41(37,38)34-27(29(30,31)32)18-28(36)33-24-9-7-8-21-16-20(10-12-23(21)24)19-35-14-5-3-4-6-15-35/h10-13,16-17,24,27,34H,3-9,14-15,18-19H2,1-2H3,(H,33,36)/t24-,27+/m1/s1