N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]acetamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC=C1)CN(C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-17-11-14-28-20(17)15-23(2)16-21(25)22-18-7-9-19(10-8-18)29(26,27)24-12-5-3-4-6-13-24/h7-11,14H,3-6,12-13,15-16H2,1-2H3,(H,22,25)