[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-pyrrolidino-methanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

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