4-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5S/c23-17(18-15-6-5-7-16(14-15)22(24)25)19-10-12-21(13-11-19)28(26,27)20-8-3-1-2-4-9-20/h5-7,14H,1-4,8-13H2,(H,18,23)