[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O5S/c27-21(18-7-8-19(20(17-18)26(28)29)22-9-5-6-10-22)23-13-15-25(16-14-23)32(30,31)24-11-3-1-2-4-12-24/h7-8,17H,1-6,9-16H2