2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1R)-1-phenylethyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18(19-10-5-4-6-11-19)24-22(26)17-23-20-12-9-13-21(16-20)29(27,28)25-14-7-2-3-8-15-25/h4-6,9-13,16,18,23H,2-3,7-8,14-15,17H2,1H3,(H,24,26)/t18-/m1/s1