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

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]cyclopentanecarboxamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]cyclopentanecarboxamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]cyclopentanecarboxamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]cyclopentanecarboxamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]cyclopentanecarboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-17-10-11-19(16-20(17)30(28,29)25-14-6-2-3-7-15-25)24-21(26)12-13-23-22(27)18-8-4-5-9-18/h10-11,16,18H,2-9,12-15H2,1H3,(H,23,27)(H,24,26)