N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cyclopentanecarboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cyclopentanecarboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]cyclopentanecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]cyclopentanecarboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]cyclopentanecarboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-16-10-11-18(23-20(25)15-22-21(26)17-8-4-5-9-17)14-19(16)29(27,28)24-12-6-2-3-7-13-24/h10-11,14,17H,2-9,12-13,15H2,1H3,(H,22,26)(H,23,25)