N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-1-propan-2-yl-piperidin-4-amine

Systemtic Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-1-propan-2-yl-piperidin-4-amine Openeye Name: 1-isopropyl-N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-amine CAS Name: N-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-1-propan-2-yl-4-piperidinamine IUPAC Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine Traditional Name: (1-isopropyl-4-piperidyl)-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H28N4O4S/c1-14(2)20-11-7-15(8-12-20)19-17-6-5-16(22(23)24)13-18(17)27(25,26)21-9-3-4-10-21/h5-6,13-15,19H,3-4,7-12H2,1-2H3