2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-phenyl-propanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-phenyl-propanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-phenyl-propanamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-phenylpropanamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-phenylpropanamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-phenyl-propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-12-13-20(23-18(2)22(26)24-19-10-6-5-7-11-19)16-21(17)29(27,28)25-14-8-3-4-9-15-25/h5-7,10-13,16,18,23H,3-4,8-9,14-15H2,1-2H3,(H,24,26)