N-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexanecarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c25-20(16-22-21(26)17-8-4-3-5-9-17)23-18-10-12-19(13-11-18)29(27,28)24-14-6-1-2-7-15-24/h10-13,17H,1-9,14-16H2,(H,22,26)(H,23,25)