N-[2-chloranyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[2-chloro-4-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[2-chloro-4-[[4-(3-thenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C18H22ClN3O3S2 MolecularWeight: 427.96858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3)Cl

InChI

InChI=1S/C18H22ClN3O3S2/c1-14(23)20-18-4-3-16(11-17(18)19)27(24,25)22-7-2-6-21(8-9-22)12-15-5-10-26-13-15/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)