N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-[(3S)-3-methylcyclohexylidene]amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C1

Isomeric SMILES

C[C@H]1CCC/C(=N\NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])/C1

InChI

InChI=1S/C17H24N4O4S/c1-13-5-4-6-14(11-13)18-19-16-8-7-15(12-17(16)21(22)23)26(24,25)20-9-2-3-10-20/h7-8,12-13,19H,2-6,9-11H2,1H3/b18-14+/t13-/m0/s1