N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-(2-methylpropyl)piperidin-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-(2-methylpropyl)piperidin-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-isobutyl-piperidin-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-(2-methylpropyl)-4-piperidinamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1-(2-methylpropyl)piperidin-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1-isobutyl-4-piperidyl)amine Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O4S/c1-17(2)16-23-13-9-18(10-14-23)22-20-8-7-19(15-21(20)25(26)27)30(28,29)24-11-5-3-4-6-12-24/h7-8,15,17-18,22H,3-6,9-14,16H2,1-2H3