1-(4-methyl-3-nitro-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-14-5-6-16(12-17(14)20(21)22)26(23,24)19-8-3-7-18(9-10-19)13-15-4-2-11-25-15/h2,4-6,11-12H,3,7-10,13H2,1H3