4-(azepan-1-ylsulfonyl)-2-nitro-N-prop-2-ynyl-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-prop-2-ynyl-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-prop-2-ynyl-aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-prop-2-ynylaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-prop-2-ynylaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-propargyl-amine Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-2-9-16-14-8-7-13(12-15(14)18(19)20)23(21,22)17-10-5-3-4-6-11-17/h1,7-8,12,16H,3-6,9-11H2