(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-[butyl(methylsulfonyl)carbamoyl]carbamate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-[butyl(methylsulfonyl)carbamoyl]carbamate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-[butyl(methylsulfonyl)carbamoyl]carbamate CAS Name: N-[[butyl(methylsulfonyl)amino]-oxomethyl]carbamic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-[butyl(methylsulfonyl)carbamoyl]carbamate Traditional Name: N-[butyl(mesyl)carbamoyl]carbamic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C13H24N4O5S MolecularWeight: 348.41846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC(=O)ONC1=NCCCCC1)S(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)NC(=O)ONC1=NCCCCC1)S(=O)(=O)C

InChI

InChI=1S/C13H24N4O5S/c1-3-4-10-17(23(2,20)21)12(18)15-13(19)22-16-11-8-6-5-7-9-14-11/h3-10H2,1-2H3,(H,14,16)(H,15,18,19)