N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[[(1R)-1-(2-thienyl)ethyl]amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[[(1R)-1-(2-thienyl)ethyl]amino]acetamide Formula: C20H26ClN3O3S2 MolecularWeight: 456.02174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C[C@H](C1=CC=CS1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H26ClN3O3S2/c1-15(19-7-6-12-28-19)22-14-20(25)23-18-13-16(8-9-17(18)21)29(26,27)24-10-4-2-3-5-11-24/h6-9,12-13,15,22H,2-5,10-11,14H2,1H3,(H,23,25)/t15-/m1/s1